2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol

C25H21F3O3 — CID 90670106

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol
SMILESCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2O)cc1
InChIInChI=1S/C25H21F3O3/c1-30-21-12-7-17(8-13-21)5-10-20-11-6-19(16-23(20)29)4-3-18-9-14-24(31-2)22(15-18)25(26,27)28/h3-16,29H,1-2H3/b4-3+,10-5+
InChIKeyONXNPATYQIOBHN-COBAKMAKSA-N
MW426.43 g/mol
LogP6.77
Rot. Bonds6

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol

2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol (PubChem CID 90670106) has the molecular formula C25H21F3O3 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol
PubChem CID90670106
Molecular FormulaC25H21F3O3
Molecular Weight426.43 g/mol
Exact Mass426.14
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol
SMILESCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2O)cc1
InChIInChI=1S/C25H21F3O3/c1-30-21-12-7-17(8-13-21)5-10-20-11-6-19(16-23(20)29)4-3-18-9-14-24(31-2)22(15-18)25(26,27)28/h3-16,29H,1-2H3/b4-3+,10-5+
InChIKeyONXNPATYQIOBHN-COBAKMAKSA-N
XLogP6.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.43
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol (CID 90670106) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol is COc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2O)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol?
The InChIKey is ONXNPATYQIOBHN-COBAKMAKSA-N. The full InChI is InChI=1S/C25H21F3O3/c1-30-21-12-7-17(8-13-21)5-10-20-11-6-19(16-23(20)29)4-3-18-9-14-24(31-2)22(15-18)25(26,27)28/h3-16,29H,1-2H3/b4-3+,10-5+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol has a molecular weight of 426.43 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenol is sourced from PubChem (CID 90670106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).